5-[2-[(4-carboxylato-5-methyl-furan-2-yl)methylsulfanyl]ethylsulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: 5-[2-[(4-carboxylato-5-methyl-furan-2-yl)methylsulfanyl]ethylsulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: 5-[2-[(4-carboxylato-5-methyl-2-furyl)methylsulfanyl]ethylsulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-[(4-carboxylato-5-methyl-2-furanyl)methylthio]ethylthio]methyl]-2-methyl-3-furancarboxylate IUPAC Name: 5-[2-[(4-carboxylato-5-methylfuran-2-yl)methylsulfanyl]ethylsulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[2-[(4-carboxylato-5-methyl-2-furyl)methylthio]ethylthio]methyl]-2-methyl-3-furoate Formula: C16H16O6S2-2 MolecularWeight: 368.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCCSCC2=CC(=C(O2)C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)CSCCSCC2=CC(=C(O2)C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H18O6S2/c1-9-13(15(17)18)5-11(21-9)7-23-3-4-24-8-12-6-14(16(19)20)10(2)22-12/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)(H,19,20)/p-2